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Universal:3ohodcoa

3-oxooctadecanoyl-CoA(4-)

Default Component
3ohodcoa:-4
  • 3-oxooctadecanoyl-CoA(4-)
  • Charge: -4
  • Formula: C39H64N7O18P3S
CHEBI:71407
  • 3-oxooctadecanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: LGOGWHDPDVAUNY-LFZQUHGESA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 1043.948[0], 1044.0[1]
  • SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
  • Names: 3-ketostearoyl-CoA(4-)[0], 3-oxostearoyl-CoA(4-)[0], 3-oxostearoyl-coenzyme A(4-)[0], 3-ketooctadecanoyl-coenzyme A(4-)[0], 3-oxooctadecanoyl-coenzyme A(4-)[0], 3-ketooctadecanoyl-CoA(4-)[0], 3-ketostearoyl-coenzyme A(4-)[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], 3-oxooctadecanoyl-CoA[0,1], 3-Oxostearoyl-CoA[1], 3-Ketostearoyl-CoA[1], 3-Oxooctadecanoyl-CoA[1], 3-oxo-stearoyl-CoA[1], 3-oxoo-stearoyl-CoA[1], beta-Ketostearoyl-CoA[1]
Data Sources: [0] CHEBI:71407 via ChEBI, [1] cpd14935 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:71407 via ChEBI, [1] cpd14935 via ModelSEED
Alternative Component
3ohodcoa:0
  • 3-oxooctadecanoyl-CoA
  • Charge: 0
  • Formula: C39H68N7O18P3S
CHEBI:50571
  • 3-oxooctadecanoyl-CoA
  • Type: Small Molecule
  • InChiKey: LGOGWHDPDVAUNY-LFZQUHGESA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 1047.98088[0]
  • SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
  • Names: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], 3-oxostearoyl-CoA[0], beta-Ketostearoyl-CoA[0], 3-Ketostearoyl-CoA[0], 3-oxooctadecanoyl-coenzyme A[0], 3-oxostearoyl-coenzyme A[0], beta-ketostearoyl-coenzyme A[0], 3-Oxooctadecanoyl-CoA[0]
Data Sources: [0] CHEBI:50571 via ChEBI
Linkouts
Data Sources: [0] CHEBI:50571 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism